3-methylbicyclo[2.1.0]pent-2-en-2-amine

C6H9N — CID 163849087

IUPAC3-methylbicyclo[2.1.0]pent-2-en-2-amine
SMILESCC1=C(N)C2CC12
InChIInChI=1S/C6H9N/c1-3-4-2-5(4)6(3)7/h4-5H,2,7H2,1H3
InChIKeyOSTORJLTVHGGNB-UHFFFAOYSA-N
MW95.14 g/mol
LogP0.87
Rot. Bonds

About 3-methylbicyclo[2.1.0]pent-2-en-2-amine

3-methylbicyclo[2.1.0]pent-2-en-2-amine (PubChem CID 163849087) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is 3-methylbicyclo[2.1.0]pent-2-en-2-amine.

Molecular Properties

Compound Name3-methylbicyclo[2.1.0]pent-2-en-2-amine
PubChem CID163849087
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC Name3-methylbicyclo[2.1.0]pent-2-en-2-amine
SMILESCC1=C(N)C2CC12
InChIInChI=1S/C6H9N/c1-3-4-2-5(4)6(3)7/h4-5H,2,7H2,1H3
InChIKeyOSTORJLTVHGGNB-UHFFFAOYSA-N
XLogP0.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 138614470
(1R)-2,4-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine
CID 170098085
8,9-dimethyltetracyclo[4.3.0.02,4.03,7]non-8-ene
CID 102064735
4,5-dimethyltricyclo[4.4.0.03,8]dec-4-ene
CID 123554248
molecular hydrogen;2-propoxy-1a,7a-dihydro-1H-cyclopropa[b]naphthalen-7-amine
CID 143725534
2,4,8-trimethyl-1,2,3,3a,5,6,7,8a-octahydro-s-indacene
CID 166025871
4,5-dimethylpentacyclo[6.6.1.13,6.02,7.09,14]hexadec-4-ene
CID 141010985
N-(2-methyl-3-bicyclo[4.1.0]hept-2-en-4-ynyl)methanethioamide
CID 163642980
4-methylbicyclo[4.1.0]hepta-2,4-dien-2-amine
CID 89217026
5,11-dioxatetracyclo[7.3.1.13,7.02,8]tetradecane-4,6,10,12-tetrone;4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone
CID 157351568
(9R,10R)-tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,10-diamine
CID 5275734
3-methoxy-2-methyl-5-propylbicyclo[4.1.0]hepta-2,4-diene
CID 170792133

Frequently Asked Questions

What is the IUPAC name of 3-methylbicyclo[2.1.0]pent-2-en-2-amine?
The IUPAC name of 3-methylbicyclo[2.1.0]pent-2-en-2-amine (CID 163849087) is 3-methylbicyclo[2.1.0]pent-2-en-2-amine.
What is the SMILES notation for 3-methylbicyclo[2.1.0]pent-2-en-2-amine?
The canonical SMILES for 3-methylbicyclo[2.1.0]pent-2-en-2-amine is CC1=C(N)C2CC12.
What is the InChIKey of 3-methylbicyclo[2.1.0]pent-2-en-2-amine?
The InChIKey is OSTORJLTVHGGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N/c1-3-4-2-5(4)6(3)7/h4-5H,2,7H2,1H3.
What are the key properties of 3-methylbicyclo[2.1.0]pent-2-en-2-amine?
3-methylbicyclo[2.1.0]pent-2-en-2-amine has a molecular weight of 95.14 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbicyclo[2.1.0]pent-2-en-2-amine is sourced from PubChem (CID 163849087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).