carbamic acid;1H-indole

C9H10N2O2 — CID 66672708

IUPACcarbamic acid;1H-indole
SMILESNC(=O)O.c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7N.CH3NO2/c1-2-4-8-7(3-1)5-6-9-8;2-1(3)4/h1-6,9H;2H2,(H,3,4)
InChIKeyDLZFBCKCPJBHKS-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.79
Rot. Bonds

About carbamic acid;1H-indole

carbamic acid;1H-indole (PubChem CID 66672708) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is carbamic acid;1H-indole.

Molecular Properties

Compound Namecarbamic acid;1H-indole
PubChem CID66672708
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Namecarbamic acid;1H-indole
SMILESNC(=O)O.c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7N.CH3NO2/c1-2-4-8-7(3-1)5-6-9-8;2-1(3)4/h1-6,9H;2H2,(H,3,4)
InChIKeyDLZFBCKCPJBHKS-UHFFFAOYSA-N
XLogP1.79
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

acetic acid;bis(1H-indole)
CID 162014067
acetic acid;1H-indole
CID 67663544
2-aminoacetic acid;1H-indole
CID 118109552
hydroxyurea;1H-indole
CID 19379049
1H-indole;oxalyl dichloride
CID 87707386
1H-indole;oxozinc
CID 174920230
bis(1H-indole);methanol
CID 70305490
1H-indole;dihydrochloride
CID 18796541
2-aminoguanidine;1H-indole
CID 66766557
formic acid;1H-indole
CID 146381063
CID 174930358
CID 174930358
cesium;1H-indole;hydroxide
CID 175329356

Frequently Asked Questions

What is the IUPAC name of carbamic acid;1H-indole?
The IUPAC name of carbamic acid;1H-indole (CID 66672708) is carbamic acid;1H-indole.
What is the SMILES notation for carbamic acid;1H-indole?
The canonical SMILES for carbamic acid;1H-indole is NC(=O)O.c1ccc2[nH]ccc2c1.
What is the InChIKey of carbamic acid;1H-indole?
The InChIKey is DLZFBCKCPJBHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.CH3NO2/c1-2-4-8-7(3-1)5-6-9-8;2-1(3)4/h1-6,9H;2H2,(H,3,4).
What are the key properties of carbamic acid;1H-indole?
carbamic acid;1H-indole has a molecular weight of 178.19 g/mol, XLogP of 1.79, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;1H-indole is sourced from PubChem (CID 66672708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).