3-(hept-6-enylcarbamoyl)bicyclo[3.1.0]hexane-2-carboxylic acid

C15H23NO3 — CID 89493365

IUPAC3-(hept-6-enylcarbamoyl)bicyclo[3.1.0]hexane-2-carboxylic acid
SMILESC=CCCCCCNC(=O)C1CC2CC2C1C(=O)O
InChIInChI=1S/C15H23NO3/c1-2-3-4-5-6-7-16-14(17)12-9-10-8-11(10)13(12)15(18)19/h2,10-13H,1,3-9H2,(H,16,17)(H,18,19)
InChIKeyDMXBDIFKDGGVPO-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.21
Rot. Bonds8

About 3-(hept-6-enylcarbamoyl)bicyclo[3.1.0]hexane-2-carboxylic acid

3-(hept-6-enylcarbamoyl)bicyclo[3.1.0]hexane-2-carboxylic acid (PubChem CID 89493365) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-(hept-6-enylcarbamoyl)bicyclo[3.1.0]hexane-2-carboxylic acid.

Molecular Properties

Compound Name3-(hept-6-enylcarbamoyl)bicyclo[3.1.0]hexane-2-carboxylic acid
PubChem CID89493365
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-(hept-6-enylcarbamoyl)bicyclo[3.1.0]hexane-2-carboxylic acid
SMILESC=CCCCCCNC(=O)C1CC2CC2C1C(=O)O
InChIInChI=1S/C15H23NO3/c1-2-3-4-5-6-7-16-14(17)12-9-10-8-11(10)13(12)15(18)19/h2,10-13H,1,3-9H2,(H,16,17)(H,18,19)
InChIKeyDMXBDIFKDGGVPO-UHFFFAOYSA-N
XLogP2.21
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(pent-4-enylcarbamoyl)cyclopropane-1-carboxylic acid
CID 165351929
4-(hept-6-enylamino)cyclohexane-1-carboxylic acid
CID 107007791
3-(but-3-enylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103551169
1-but-3-enyl-3-[(1R,2R)-2-(dec-9-enylcarbamoylamino)cyclohexyl]urea
CID 102018358
(tetradec-13-enylamino)carbamic acid
CID 145289573
(hept-6-enylamino)carbamic acid
CID 90997429
1-hex-5-enyl-3-methylurea
CID 171623663
trans-(1R,2R)-2-(4-methylsulfanylbutylcarbamoyl)cyclopropane-1-carboxylic acid
CID 99716413
3-(undec-10-enoylamino)propane-1-sulfonic acid
CID 101283812
5-[[(1S,2R)-2-cyclopropylcyclopropanecarbonyl]amino]pentanoic acid
CID 99851184
2-[(4-amino-4-oxobutyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60864450
(1R,2S,3R,4S)-3-[4-[[(1R,2S,3R,4R)-3-carboxybicyclo[2.2.1]hept-5-ene-2-carbonyl]amino]butylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 100730550

Frequently Asked Questions

What is the IUPAC name of 3-(hept-6-enylcarbamoyl)bicyclo[3.1.0]hexane-2-carboxylic acid?
The IUPAC name of 3-(hept-6-enylcarbamoyl)bicyclo[3.1.0]hexane-2-carboxylic acid (CID 89493365) is 3-(hept-6-enylcarbamoyl)bicyclo[3.1.0]hexane-2-carboxylic acid.
What is the SMILES notation for 3-(hept-6-enylcarbamoyl)bicyclo[3.1.0]hexane-2-carboxylic acid?
The canonical SMILES for 3-(hept-6-enylcarbamoyl)bicyclo[3.1.0]hexane-2-carboxylic acid is C=CCCCCCNC(=O)C1CC2CC2C1C(=O)O.
What is the InChIKey of 3-(hept-6-enylcarbamoyl)bicyclo[3.1.0]hexane-2-carboxylic acid?
The InChIKey is DMXBDIFKDGGVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-2-3-4-5-6-7-16-14(17)12-9-10-8-11(10)13(12)15(18)19/h2,10-13H,1,3-9H2,(H,16,17)(H,18,19).
What are the key properties of 3-(hept-6-enylcarbamoyl)bicyclo[3.1.0]hexane-2-carboxylic acid?
3-(hept-6-enylcarbamoyl)bicyclo[3.1.0]hexane-2-carboxylic acid has a molecular weight of 265.35 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hept-6-enylcarbamoyl)bicyclo[3.1.0]hexane-2-carboxylic acid is sourced from PubChem (CID 89493365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).