(NE)-N-[5-[(5,5-dimethyloxolan-2-yl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine

C16H21NO3 — CID 107684342

IUPAC(NE)-N-[5-[(5,5-dimethyloxolan-2-yl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESCC1(C)CCC(COc2ccc3c(c2)CC/C3=N\O)O1
InChIInChI=1S/C16H21NO3/c1-16(2)8-7-13(20-16)10-19-12-4-5-14-11(9-12)3-6-15(14)17-18/h4-5,9,13,18H,3,6-8,10H2,1-2H3/b17-15+
InChIKeyHAQMBXGCLHXVNK-BMRADRMJSA-N
MW275.35 g/mol
LogP3.15
Rot. Bonds3

About (NE)-N-[5-[(5,5-dimethyloxolan-2-yl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine

(NE)-N-[5-[(5,5-dimethyloxolan-2-yl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine (PubChem CID 107684342) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is (NE)-N-[5-[(5,5-dimethyloxolan-2-yl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[5-[(5,5-dimethyloxolan-2-yl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine
PubChem CID107684342
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name(NE)-N-[5-[(5,5-dimethyloxolan-2-yl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESCC1(C)CCC(COc2ccc3c(c2)CC/C3=N\O)O1
InChIInChI=1S/C16H21NO3/c1-16(2)8-7-13(20-16)10-19-12-4-5-14-11(9-12)3-6-15(14)17-18/h4-5,9,13,18H,3,6-8,10H2,1-2H3/b17-15+
InChIKeyHAQMBXGCLHXVNK-BMRADRMJSA-N
XLogP3.15
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-[5-(cyclopropylmethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 107684224
(5S)-2,2-dimethyl-5-(phenoxymethyl)oxolane
CID 141293396
1-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxymethyl]cyclopentan-1-ol
CID 107684311
5-[(3-fluorophenoxy)methyl]-2,2-dimethyloxolane
CID 116524396
4-[(5,5-dimethyloxolan-2-yl)methoxy]-2-fluorobenzenecarbothioamide
CID 116521867
(1R)-1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]propan-1-ol
CID 104889581
(1R)-1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 104889478
1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 116520718
3-[(5,5-dimethyloxolan-2-yl)methoxy]benzaldehyde
CID 116521944
5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-2,2-dimethyloxolane
CID 102714672
1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-2-fluorophenyl]-N-methylethanamine
CID 107716568
[2-[(5,5-dimethyloxolan-2-yl)methoxy]-4-methoxyphenyl]methanol
CID 116522289

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[5-[(5,5-dimethyloxolan-2-yl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[5-[(5,5-dimethyloxolan-2-yl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine (CID 107684342) is (NE)-N-[5-[(5,5-dimethyloxolan-2-yl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[5-[(5,5-dimethyloxolan-2-yl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[5-[(5,5-dimethyloxolan-2-yl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine is CC1(C)CCC(COc2ccc3c(c2)CC/C3=N\O)O1.
What is the InChIKey of (NE)-N-[5-[(5,5-dimethyloxolan-2-yl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The InChIKey is HAQMBXGCLHXVNK-BMRADRMJSA-N. The full InChI is InChI=1S/C16H21NO3/c1-16(2)8-7-13(20-16)10-19-12-4-5-14-11(9-12)3-6-15(14)17-18/h4-5,9,13,18H,3,6-8,10H2,1-2H3/b17-15+.
What are the key properties of (NE)-N-[5-[(5,5-dimethyloxolan-2-yl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine?
(NE)-N-[5-[(5,5-dimethyloxolan-2-yl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine has a molecular weight of 275.35 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[5-[(5,5-dimethyloxolan-2-yl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine is sourced from PubChem (CID 107684342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).