(1S,6S)-N-ethylbicyclo[4.1.0]heptane-7-carboxamide

C10H17NO — CID 124567047

IUPAC(1S,6S)-N-ethylbicyclo[4.1.0]heptane-7-carboxamide
SMILESCCNC(=O)C1[C@H]2CCCC[C@H]12
InChIInChI=1S/C10H17NO/c1-2-11-10(12)9-7-5-3-4-6-8(7)9/h7-9H,2-6H2,1H3,(H,11,12)/t7-,8-/m0/s1
InChIKeyVGEASRUWKDVMHR-YUMQZZPRSA-N
MW167.25 g/mol
LogP1.56
Rot. Bonds2

About (1S,6S)-N-ethylbicyclo[4.1.0]heptane-7-carboxamide

(1S,6S)-N-ethylbicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 124567047) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (1S,6S)-N-ethylbicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound Name(1S,6S)-N-ethylbicyclo[4.1.0]heptane-7-carboxamide
PubChem CID124567047
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(1S,6S)-N-ethylbicyclo[4.1.0]heptane-7-carboxamide
SMILESCCNC(=O)C1[C@H]2CCCC[C@H]12
InChIInChI=1S/C10H17NO/c1-2-11-10(12)9-7-5-3-4-6-8(7)9/h7-9H,2-6H2,1H3,(H,11,12)/t7-,8-/m0/s1
InChIKeyVGEASRUWKDVMHR-YUMQZZPRSA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethylbicyclo[3.1.0]hexane-6-carboxamide
CID 79600194
(4E)-N-ethylbicyclo[6.1.0]non-4-ene-9-carboxamide
CID 89182498
(1S,5R)-N-ethyl-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 131207269
N-prop-2-ynylbicyclo[4.1.0]heptane-7-carboxamide
CID 79139027
N-[2-(methylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 81478899
N-(2-aminoethyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 81459042
N-(2-bromopropyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 114308612
N-[(2R)-2-(ethylamino)propyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 120653330
N-(3-hydroxypropyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 81449431
N-prop-2-enylbicyclo[4.1.0]heptane-7-carboxamide
CID 4301039
N-(3-hydroxy-4-methylpentyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 111540255
N-(piperidin-2-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 81479063

Frequently Asked Questions

What is the IUPAC name of (1S,6S)-N-ethylbicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of (1S,6S)-N-ethylbicyclo[4.1.0]heptane-7-carboxamide (CID 124567047) is (1S,6S)-N-ethylbicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for (1S,6S)-N-ethylbicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for (1S,6S)-N-ethylbicyclo[4.1.0]heptane-7-carboxamide is CCNC(=O)C1[C@H]2CCCC[C@H]12.
What is the InChIKey of (1S,6S)-N-ethylbicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is VGEASRUWKDVMHR-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-11-10(12)9-7-5-3-4-6-8(7)9/h7-9H,2-6H2,1H3,(H,11,12)/t7-,8-/m0/s1.
What are the key properties of (1S,6S)-N-ethylbicyclo[4.1.0]heptane-7-carboxamide?
(1S,6S)-N-ethylbicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 167.25 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S)-N-ethylbicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 124567047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).