azepane;furan

C10H17NO — CID 70085027

IUPACazepane;furan
SMILESC1CCCNCC1.c1ccoc1
InChIInChI=1S/C6H13N.C4H4O/c1-2-4-6-7-5-3-1;1-2-4-5-3-1/h7H,1-6H2;1-4H
InChIKeyVCTFGOHPDANJRQ-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.43
Rot. Bonds

About azepane;furan

azepane;furan (PubChem CID 70085027) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is azepane;furan.

Molecular Properties

Compound Nameazepane;furan
PubChem CID70085027
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Nameazepane;furan
SMILESC1CCCNCC1.c1ccoc1
InChIInChI=1S/C6H13N.C4H4O/c1-2-4-6-7-5-3-1;1-2-4-5-3-1/h7H,1-6H2;1-4H
InChIKeyVCTFGOHPDANJRQ-UHFFFAOYSA-N
XLogP2.43
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-Azepine, hexahydro-1-((2-furyldimethylsilyl)methyl)-, hydrochloride
CID 54237
1H-Azepine, hexahydro-1-(2-(2-furyldimethylsilyl)ethyl)-, hydrochloride
CID 54239
1H-Azepine, hexahydro-1-(3-(2-furyldimethylsilyl)propyl)-, hydrochloride
CID 54241
Azepan-1-ylmethyl-(furan-2-yl)-dimethylsilane
CID 54238
2-(Azepan-1-yl)ethyl-(furan-2-yl)-dimethylsilane
CID 54240
3-(Azepan-1-yl)propyl-(furan-2-yl)-dimethylsilane
CID 54242
Furan;pyrrolidine
CID 18005829
N-butylformamide;furan
CID 19603883
Furan;piperazine
CID 22665539
Furan;piperidine
CID 69860193
bromo(furan-2-yl)phosphane;N-methylpropan-1-amine
CID 142092222
Furan;molecular hydrogen;piperazine
CID 142141015

Frequently Asked Questions

What is the IUPAC name of azepane;furan?
The IUPAC name of azepane;furan (CID 70085027) is azepane;furan.
What is the SMILES notation for azepane;furan?
The canonical SMILES for azepane;furan is C1CCCNCC1.c1ccoc1.
What is the InChIKey of azepane;furan?
The InChIKey is VCTFGOHPDANJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C4H4O/c1-2-4-6-7-5-3-1;1-2-4-5-3-1/h7H,1-6H2;1-4H.
What are the key properties of azepane;furan?
azepane;furan has a molecular weight of 167.25 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepane;furan is sourced from PubChem (CID 70085027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).