trans-(1R,3R)-3-(1H-pyrrol-3-ylamino)cyclohexane-1-carboxamide

C11H17N3O — CID 69114515

IUPACtrans-(1R,3R)-3-(1H-pyrrol-3-ylamino)cyclohexane-1-carboxamide
SMILESNC(=O)[C@@H]1CCC[C@@H](Nc2cc[nH]c2)C1
InChIInChI=1S/C11H17N3O/c12-11(15)8-2-1-3-9(6-8)14-10-4-5-13-7-10/h4-5,7-9,13-14H,1-3,6H2,(H2,12,15)/t8-,9-/m1/s1
InChIKeyKESLUSSGDZVZSZ-RKDXNWHRSA-N
MW207.28 g/mol
LogP1.47
Rot. Bonds3

About trans-(1R,3R)-3-(1H-pyrrol-3-ylamino)cyclohexane-1-carboxamide

trans-(1R,3R)-3-(1H-pyrrol-3-ylamino)cyclohexane-1-carboxamide (PubChem CID 69114515) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is trans-(1R,3R)-3-(1H-pyrrol-3-ylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,3R)-3-(1H-pyrrol-3-ylamino)cyclohexane-1-carboxamide
PubChem CID69114515
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Nametrans-(1R,3R)-3-(1H-pyrrol-3-ylamino)cyclohexane-1-carboxamide
SMILESNC(=O)[C@@H]1CCC[C@@H](Nc2cc[nH]c2)C1
InChIInChI=1S/C11H17N3O/c12-11(15)8-2-1-3-9(6-8)14-10-4-5-13-7-10/h4-5,7-9,13-14H,1-3,6H2,(H2,12,15)/t8-,9-/m1/s1
InChIKeyKESLUSSGDZVZSZ-RKDXNWHRSA-N
XLogP1.47
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-(1H-pyrrol-3-ylamino)cyclohexane-1-carboxamide?
The IUPAC name of trans-(1R,3R)-3-(1H-pyrrol-3-ylamino)cyclohexane-1-carboxamide (CID 69114515) is trans-(1R,3R)-3-(1H-pyrrol-3-ylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1R,3R)-3-(1H-pyrrol-3-ylamino)cyclohexane-1-carboxamide?
The canonical SMILES for trans-(1R,3R)-3-(1H-pyrrol-3-ylamino)cyclohexane-1-carboxamide is NC(=O)[C@@H]1CCC[C@@H](Nc2cc[nH]c2)C1.
What is the InChIKey of trans-(1R,3R)-3-(1H-pyrrol-3-ylamino)cyclohexane-1-carboxamide?
The InChIKey is KESLUSSGDZVZSZ-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H17N3O/c12-11(15)8-2-1-3-9(6-8)14-10-4-5-13-7-10/h4-5,7-9,13-14H,1-3,6H2,(H2,12,15)/t8-,9-/m1/s1.
What are the key properties of trans-(1R,3R)-3-(1H-pyrrol-3-ylamino)cyclohexane-1-carboxamide?
trans-(1R,3R)-3-(1H-pyrrol-3-ylamino)cyclohexane-1-carboxamide has a molecular weight of 207.28 g/mol, XLogP of 1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-(1H-pyrrol-3-ylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 69114515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).