(5-cyclohexa-1,5-dien-1-ylpentan-2-ylamino)methanone;fermium;formic acid

C13H20FmNO3- — CID 168915524

IUPAC(5-cyclohexa-1,5-dien-1-ylpentan-2-ylamino)methanone;fermium;formic acid
SMILESCC(CCCC1=CCCC=C1)N[C-]=O.O=CO.[Fm]
InChIInChI=1S/C12H18NO.CH2O2.Fm/c1-11(13-10-14)6-5-9-12-7-3-2-4-8-12;2-1-3;/h3,7-8,11H,2,4-6,9H2,1H3,(H,13,14);1H,(H,2,3);/q-1;;
InChIKeyNBZATNCMMBMQFB-UHFFFAOYSA-N
MW495.31 g/mol
LogP2.18
Rot. Bonds6

About (5-cyclohexa-1,5-dien-1-ylpentan-2-ylamino)methanone;fermium;formic acid

(5-cyclohexa-1,5-dien-1-ylpentan-2-ylamino)methanone;fermium;formic acid (PubChem CID 168915524) has the molecular formula C13H20FmNO3- and a molecular weight of 495.31 g/mol. Its IUPAC name is (5-cyclohexa-1,5-dien-1-ylpentan-2-ylamino)methanone;fermium;formic acid.

Molecular Properties

Compound Name(5-cyclohexa-1,5-dien-1-ylpentan-2-ylamino)methanone;fermium;formic acid
PubChem CID168915524
Molecular FormulaC13H20FmNO3-
Molecular Weight495.31 g/mol
Exact Mass495.24
IUPAC Name(5-cyclohexa-1,5-dien-1-ylpentan-2-ylamino)methanone;fermium;formic acid
SMILESCC(CCCC1=CCCC=C1)N[C-]=O.O=CO.[Fm]
InChIInChI=1S/C12H18NO.CH2O2.Fm/c1-11(13-10-14)6-5-9-12-7-3-2-4-8-12;2-1-3;/h3,7-8,11H,2,4-6,9H2,1H3,(H,13,14);1H,(H,2,3);/q-1;;
InChIKeyNBZATNCMMBMQFB-UHFFFAOYSA-N
XLogP2.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.31
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

4-cyclohexa-1,5-dien-1-yl-N-(2-oxoethyl)butanamide
CID 168995900
2-amino-3-cyclohexa-1,5-dien-1-ylpropanal;methanol
CID 144958842
[(1Z,3Z,7E)-11-cyclohexa-1,5-dien-1-yl-4-ethenyl-7-ethylidene-8-methyl-5-methylideneundeca-1,3-dienyl]phosphane
CID 142870081
N-(cyclohexa-1,5-dien-1-ylmethyl)propan-2-amine;ethane
CID 144703762
2-cyclohexa-1,5-dien-1-ylethanethiol
CID 143709620
CID 145359118
CID 145359118
N-(2-cyclohexa-1,5-dien-1-ylethyl)-N-methylacetamide
CID 142459410
3-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpentan-2-one
CID 178167947
3-[2-cyclohexa-1,5-dien-1-ylethyl(methyl)amino]propan-1-ol
CID 173159504
N-(2-cyclohexa-1,5-dien-1-ylethyl)but-1-en-2-amine
CID 144925841
2-amino-3-cyclohexa-1,5-dien-1-ylpropanamide
CID 155283352
5-cyclohexa-1,5-dien-1-yl-2-(2-pyridin-2-ylethyl)pentanoic acid
CID 143824375

Frequently Asked Questions

What is the IUPAC name of (5-cyclohexa-1,5-dien-1-ylpentan-2-ylamino)methanone;fermium;formic acid?
The IUPAC name of (5-cyclohexa-1,5-dien-1-ylpentan-2-ylamino)methanone;fermium;formic acid (CID 168915524) is (5-cyclohexa-1,5-dien-1-ylpentan-2-ylamino)methanone;fermium;formic acid.
What is the SMILES notation for (5-cyclohexa-1,5-dien-1-ylpentan-2-ylamino)methanone;fermium;formic acid?
The canonical SMILES for (5-cyclohexa-1,5-dien-1-ylpentan-2-ylamino)methanone;fermium;formic acid is CC(CCCC1=CCCC=C1)N[C-]=O.O=CO.[Fm].
What is the InChIKey of (5-cyclohexa-1,5-dien-1-ylpentan-2-ylamino)methanone;fermium;formic acid?
The InChIKey is NBZATNCMMBMQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18NO.CH2O2.Fm/c1-11(13-10-14)6-5-9-12-7-3-2-4-8-12;2-1-3;/h3,7-8,11H,2,4-6,9H2,1H3,(H,13,14);1H,(H,2,3);/q-1;;.
What are the key properties of (5-cyclohexa-1,5-dien-1-ylpentan-2-ylamino)methanone;fermium;formic acid?
(5-cyclohexa-1,5-dien-1-ylpentan-2-ylamino)methanone;fermium;formic acid has a molecular weight of 495.31 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclohexa-1,5-dien-1-ylpentan-2-ylamino)methanone;fermium;formic acid is sourced from PubChem (CID 168915524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).