N-(furan-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine

C12H15NO — CID 43222580

IUPACN-(furan-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESC1=CC2C(C1)CC2NCc1ccco1
InChIInChI=1S/C12H15NO/c1-3-9-7-12(11(9)5-1)13-8-10-4-2-6-14-10/h1-2,4-6,9,11-13H,3,7-8H2
InChIKeyOONXMXGZXCOEJJ-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.33
Rot. Bonds3

About N-(furan-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine

N-(furan-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 43222580) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine
PubChem CID43222580
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC NameN-(furan-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESC1=CC2C(C1)CC2NCc1ccco1
InChIInChI=1S/C12H15NO/c1-3-9-7-12(11(9)5-1)13-8-10-4-2-6-14-10/h1-2,4-6,9,11-13H,3,7-8H2
InChIKeyOONXMXGZXCOEJJ-UHFFFAOYSA-N
XLogP2.33
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(furan-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(thiophen-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43223238
N-(furan-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 16775468
2-cyclohexyl-N-(furan-2-ylmethyl)cyclopropan-1-amine
CID 115655073
N-[(4-propan-2-ylphenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 55136454
N-(furan-2-ylmethyl)-2,3-dimethylcyclopentan-1-amine
CID 64908204
cis-(1S,2R)-2-N-(furan-2-ylmethyl)cyclohexane-1,2-diamine
CID 124676095
N-(cyclopropylmethyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43756772
N-(furan-2-ylmethyl)-1,2,5-trimethylpiperidin-4-amine
CID 43665299
N-(furan-2-ylmethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65046629
cis-(1S,2R)-2-(furan-2-ylmethylamino)cyclohexane-1-carboxylic acid
CID 51556928
cis-(1R,2S)-2-(furan-2-ylmethylamino)cyclohexane-1-carboxylic acid
CID 51440657
N-(furan-2-ylmethyl)-3-methyloxan-4-amine
CID 130173705

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-(furan-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine (CID 43222580) is N-(furan-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-(furan-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine is C1=CC2C(C1)CC2NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is OONXMXGZXCOEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-3-9-7-12(11(9)5-1)13-8-10-4-2-6-14-10/h1-2,4-6,9,11-13H,3,7-8H2.
What are the key properties of N-(furan-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine?
N-(furan-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 189.26 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 43222580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).